(2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine

C8H14N2 — CID 171500012

IUPAC(2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine
SMILESC/C=C(\C=N\C)C(/C)=N/C
InChIInChI=1S/C8H14N2/c1-5-8(6-9-3)7(2)10-4/h5-6H,1-4H3/b8-5+,9-6+,10-7+
InChIKeyLDXXBKHRQPQBCW-DVJWZOGQSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds2

About (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine

(2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine (PubChem CID 171500012) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine.

Molecular Properties

Compound Name(2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine
PubChem CID171500012
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine
SMILESC/C=C(\C=N\C)C(/C)=N/C
InChIInChI=1S/C8H14N2/c1-5-8(6-9-3)7(2)10-4/h5-6H,1-4H3/b8-5+,9-6+,10-7+
InChIKeyLDXXBKHRQPQBCW-DVJWZOGQSA-N
XLogP1.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine?
The IUPAC name of (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine (CID 171500012) is (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine.
What is the SMILES notation for (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine?
The canonical SMILES for (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine is C/C=C(\C=N\C)C(/C)=N/C.
What is the InChIKey of (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine?
The InChIKey is LDXXBKHRQPQBCW-DVJWZOGQSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(6-9-3)7(2)10-4/h5-6H,1-4H3/b8-5+,9-6+,10-7+.
What are the key properties of (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine?
(2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-1-N,3-N-dimethylbutane-1,3-diimine is sourced from PubChem (CID 171500012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).